Chlorine in PDB 6r1c: Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A

The structure of Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A, PDB code: 6r1c was solved by C.Heim, M.D.Hartmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.12 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.656, 59.020, 88.593, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 21.5

The structure of Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A (pdb code 6r1c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A, PDB code: 6r1c:

Chlorine binding site 1 out of 1 in the Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cereblon Isoform 4 From Magnetospirillum Gryphiswaldense in Complex with Compound 12A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:35.3 occ:1.00 OD2 B:ASP116 2.7 15.1 0.6 O B:HOH376 3.1 24.9 1.0 NE B:ARG57 3.1 12.8 1.0 OD1 B:ASP116 3.2 14.7 0.6 CG B:ASP116 3.3 14.6 0.6 OD2 B:ASP116 3.5 14.9 0.4 NH2 B:ARG57 3.5 14.2 1.0 NH2 A:ARG25 3.6 12.3 1.0 CZ B:ARG57 3.8 13.1 1.0 O B:HOH354 3.8 11.9 1.0 CD B:ARG57 4.1 12.0 1.0 CB B:ARG57 4.1 11.0 1.0 O1 B:PO4205 4.3 66.2 1.0 O B:HOH357 4.3 13.0 1.0 CG B:ASP116 4.4 14.3 0.4 O A:HOH353 4.5 25.6 1.0 CB B:ASP116 4.6 14.2 0.4 CB B:ASP116 4.7 14.2 0.6 CG B:ARG57 4.8 11.4 1.0 CZ A:ARG25 4.9 11.9 1.0

C.Heim, D.Pliatsika, F.Mousavizadeh, K.Bar, B.Hernandez Alvarez, A.Giannis, M.D.Hartmann. De-Novo Design of Cereblon (Crbn) Effectors Guided By Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem. V. 62 6615 2019.
ISSN: ISSN 0022-2623
PubMed: 31251063
DOI: 10.1021/ACS.JMEDCHEM.9B00454